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1-(Ethoxycarbonyl)-2-(octylidene)cyclopropyl Phenyl Ketone
SpectraBase Compound ID 7NCGlaztE4t
InChI InChI=1S/C21H28O3/c1-3-5-6-7-8-12-15-18-16-21(18,20(23)24-4-2)19(22)17-13-10-9-11-14-17/h9-11,13-15H,3-8,12,16H2,1-2H3/b18-15+
InChIKey KSIQNDVHPUNVOW-OBGWFSINSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWmuusaSQXu
Name 1-(Ethoxycarbonyl)-2-(octylidene)cyclopropyl Phenyl Ketone
Comments Less than 3 mono-isotopic peaks
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-3-5-6-7-8-12-15-18-16-21(18,20(23)24-4-2)19(22)17-13-10-9-11-14-17/h9-11,13-15H,3-8,12,16H2,1-2H3/b18-15+
InChIKey KSIQNDVHPUNVOW-OBGWFSINSA-N
Molecular Weight 328.452 g/mol
SMILES C1(\C(=C\CCCCCCC)C1)(C(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-0006-9000000000-010cf4a5ee81f4b30fce
Source of Spectrum C-126-9653-1h
Wiley ID 1701278